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Tricalcium Phosphate
CAS: 7758-87-4 | H3CaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7758-87-4
Molecular Formula:
H3CaO4P
Molecular Weight:
138.072 g/mol
Names and Synonyms:
Tricalcium Phosphate
Synonym
Phosphoric acid, calcium salt (2:3)
Synonym
Calcium orthophosphate
Synonym
Calcium phosphate (Ca3(PO4)2)
Synonym
Tricalcium phosphate
Synonym
Tricalcium diphosphate
Synonym
Calcium phosphate (3:2)
Synonym
Calcium phosphate
Synonym
Tricalcium orthophosphate
Synonym
Calcium tertiary phosphate
Synonym
Phosphoric acid calcium(2+) salt (2:3)
Synonym
Tertiary calcium phosphate
Synonym
Bonarka
Synonym
Synthos
Synonym
Tricalcium phosphate (Ca3(PO4)2)
Synonym
α-Tricalcium phosphate
Synonym
β-Tricalcium phosphate
Synonym
Tribasic calcium phosphate
Synonym
Synthograft
Synonym
Posture
Synonym
TCP
Synonym
Calcium orthophosphate (Ca3(PO4)2)
Synonym
Posture (calcium supplement)
Synonym
TCP 10
Synonym
Multifos
Synonym
β-Whitlockite
Synonym
β-TCP
Synonym
Apamicron AP 12C
Synonym
Ostram
Synonym
C 13-09SF
Synonym
Cerasorb
Synonym
Ceredex
Synonym
Osferion
Synonym
TCP 118FG
Synonym
Allogran-R
Synonym
Vitoss
Synonym
Calcium phosphate Ca0.75(PO4)0.5
Synonym
C 13-09
Synonym
Coveg
Synonym
Calipharm T
Synonym
Ossaplast
Synonym
Tricafos P
Synonym
TCP 10U
Synonym
DET 10
Synonym
Osferion G1
Synonym
Phos Calcium P 24
Synonym
TricOs
Synonym
Cerasorb M
Synonym
Calciresorb
Synonym
Calcium phosphate (Ca10.5(PO4)7)
Synonym
JAX TCP
Synonym
Calcium phosphate (Ca1.5(PO4))
Synonym
Cerasorb Curasan
Synonym
Versacal MP
Synonym
SuperPore
Synonym
Tetrabones
Synonym
Expandia R
Synonym
nanoXIM-TCP 201
Synonym
α-Ca3(PO4)2
Synonym
EPSolute Instant S
Synonym
Cafos MF
Synonym
Tri-Cafos 200-7
Synonym
Calcium phosphate (Ca9(PO4)6)
Synonym
Identifiers:
SMILES:
O=P(O)(O)O.[Ca]
InChI:
InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.07 g/mol | Legacy Database |
| density | 3.14 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tricalcium_phosphate None | Legacy Database |
| cas-canonical-smile | [Ca].O=P(O)(O)O None | Legacy Database |
| cas-density | 3.14 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=UUVBYOGFRMMMQL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Tricalcium phosphate None | Legacy Database |
| wikipedia-name | Tricalcium phosphate None | Legacy Database |
| cas-melting-point | 1670 °C None | Legacy Database |
| LogP | -1.3094000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.072 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.939486186 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 77.76 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.0169 | RDKit |